⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5756561 | 0.79 | KDM5A (0.33) | — | |
| SCHEMBL2359714 | 0.78 | — | — | |
| SCHEMBL5698996 | 0.74 | — | — | |
| SCHEMBL9978306 | 0.73 | — | — | |
| SCHEMBL6159526 | 0.73 | — | — | |
| SCHEMBL28914873 | 0.71 | DAO (0.32) | — | |
| SCHEMBL1706879 | 0.70 | — | — | |
| SCHEMBL27343778 | 0.70 | — | — | |
| SCHEMBL7265873 | 0.69 | — | — | |
| SCHEMBL10366551 | 0.69 | DAO (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7122572-B2 | For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) | 2006-10-17 | — | — | US | disclosed |
| US-7041819-B2 | Halogenated calixpyrroles and uses thereof | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-05-09 | — | — | US | disclosed |
| WO-2003018548-A2 | HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2003-03-06 | — | — | WO | disclosed |
| US-20020115566-A1 | Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2002-08-22 | — | — | US | disclosed |
| US-20020026047-A1 | Calixpyrroles, calixpyridinopyrroles, and calixpyridines | BOARD OF REGENTS, THE | 2002-02-28 | — | — | US | disclosed |
| US-6262257-B1 | SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM | 2001-07-17 | — | — | US | disclosed |